2-methyl-5-[[5-methyl-2-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 2-methyl-5-[[5-methyl-2-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 2-methyl-5-[[5-methyl-2-(4-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 2-methyl-5-[[5-methyl-2-(4-prop-2-ynoxyanilino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 2-methyl-5-[[5-methyl-2-(4-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 2-methyl-5-[[5-methyl-2-(4-propargyloxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)OCC#C)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)OCC#C)S(=O)(=O)N

InChI

InChI=1S/C21H21N5O3S/c1-4-11-29-18-9-7-16(8-10-18)25-21-23-13-15(3)20(26-21)24-17-6-5-14(2)19(12-17)30(22,27)28/h1,5-10,12-13H,11H2,2-3H3,(H2,22,27,28)(H2,23,24,25,26)